ORCA (quantum chemistry program)

<p>ORCA is a general-purpose <a href="/facts/Quantum_chemistry/H9AXV0lx">quantum chemistry</a> package featuring a variety of methods including <a href="/facts/Semi-empirical_quantum_chemistry_method/EodfybQ1">semi-empirical</a>, <a href="/facts/Density_functional_theory/wwz4Gqdg">density functional theory</a>, <a href="/facts/Many-body_problem/n2rIxgwv">many-body</a> <a href="/facts/Perturbation_theory_(quantum_mechanics)/lYGgk9Ph">perturbation</a>, <a href="/facts/Coupled_cluster/VAdquKSJ">coupled cluster</a>, and multireference methods. ORCA provides an easy-to-learn input structure and thus high accessibility of quantum chemical approaches and workflows. The ORCA program package is mainly developed by <a href="/facts/Frank_Neese/JzDl04HS">Frank Neese</a>, the department of molecular theory and spectroscopy at the <a href="/facts/Max-Planck-Institut_f%25C3%25BCr_Kohlenforschung/IsQqsrv2">Max-Planck-Institut für Kohlenforschung</a> (MPI KoFo), and the <a href="https://www.faccts.de">FACCTs GmbH</a> which also manages commercial licensing to industry. ORCA is generally freely available for academic use.
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ORCA (quantum chemistry program) open-in-new

ORCA (quantum chemistry program)